2-에틸아닐린 - ≥97% , CAS No.52670-38-9

CAS: 52670-38-9 Cat. No.: E176686 분자식: C₈H₇N 분자량: 117.151 EC 번호: 628-712-2

GRADE & PURITY ≥97%

Synonyms

A847480 | ALQPJHSFIXARGX-UHFFFAOYSA-N | 2-ethynylbenzenamine | 2-Aminophenylacetylene | 2-Ethynyl-phenylamine | EN300-743880 | 2-Ethynylaniline, 98% | BBL101153 | Benzenamine, 2-ethynyl- | DTXSID30399999 | 2-Ethynylaniline | N-(2-Chloromethyl)-N-methylpip

Storage

Argon charged,Room temperature

Shipped In

보통

Specifications

동의어

A847480 | ALQPJHSFIXARGX-UHFFFAOYSA-N | 2-ethynylbenzenamine | 2-Aminophenylacetylene | 2-Ethynyl-phenylamine | EN300-743880 | 2-Ethynylaniline, 98% | BBL101153 | Benzenamine, 2-ethynyl- | DTXSID30399999 | 2-Ethynylaniline | N-(2-Chloromethyl)-N-methylpip

사양 및 순도

≥97%

보관 조건

Argon charged,Room temperature

배송

보통

순수함

≥97%

이름과 식별자

Pubchem Sid

488194722

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194722

정식 스마일

C#CC1=CC=CC=C1N

IUPAC Name

2-ethynylaniline

InChIKey

ALQPJHSFIXARGX-UHFFFAOYSA-N

INCHI

1S/C8H7N/c1-2-7-5-3-4-6-8(7)9/h1,3-6H,9H2

이성체 SMILES

C#CC1=CC=CC=C1N

WGK 독일

3

분자량

117.151

Reaxy-Rn

1306002

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1306002&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Acetylides Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Acetylide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

작용 메커니즘

화학 및 물리적 특성

• 감도: air sensitive
• 굴절률: 1.62
• 발화점(°F): 208.4 °F
• 발화점(°C): 98 °C
• 끓는점(°C): 229-230°C
• 분자량: 117.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 117.058 Da
• Monoisotopic Mass: 117.058 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 131.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 52670-38-9, the molecular formula is C8H7N, and the molecular weight is 117.151 g/mol. InChIKey ALQPJHSFIXARGX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.